Alternatives and similar repositories for mass-suite

Users that are interested in mass-suite are comparing it to the libraries listed below

• merlin-ms / awesome-mass-spectral-libraries
  ☆21Updated last year
• pnnl / darkchem
  ☆32Updated 9 months ago
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆67Updated last year
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆71Updated 3 weeks ago
• michaelwitting / RepoRT
  This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …
  ☆52Updated this week
• Philipbear / msbuddy
  a python package for molecular formula analysis in MS-based small molecule studies
  ☆31Updated 2 months ago
• pnnl / deimos
  ☆36Updated 3 months ago
• biosustain / pyOpenMS_UmetaFlow
  Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)
  ☆22Updated 10 months ago
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 5 years ago
• griquelme / tidyms
  TidyMS: Tools for working with MS data in untargeted metabolomics
  ☆56Updated last year
• BAMeScience / fiora
  Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…
  ☆37Updated this week
• mobiusklein / brainpy
  A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations
  ☆22Updated 4 months ago
• mohimanilab / molDiscovery
  ☆15Updated 3 years ago
• volvox292 / mass2smiles
  deep learning based prediction of structures and functional groups from MS/MS spectra
  ☆11Updated 7 months ago
• Elizachem / SMRT_transfer
  ☆11Updated 3 years ago
• lucinamay / biosynfoni
  a *biosynformatic* fingerprint to explore natural product distance and diversity
  ☆18Updated 3 weeks ago
• HuanLab / BUDDY
  Bottom-up MS/MS interrogation & Experiment-specific global annotation
  ☆30Updated 9 months ago
• KavrakiLab / Spec2Mol
  ☆26Updated 2 years ago
• mwang87 / NP-Classifier
  ☆25Updated 2 months ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• pnnl / MSAC
  ☆23Updated 5 months ago
• domdfcoding / pynist
  PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.
  ☆22Updated 2 weeks ago
• zhanghailiangcsu / MSBERT
  Improve the accuracy of database search by using BERT to embed MS/MS reasonably
  ☆18Updated 11 months ago
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆25Updated this week
• meowcat / MSNovelist
  ☆68Updated last year
• sirius-ms / sirius
  SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository…
  ☆118Updated this week
• AlBi-HHU / myopic-mces
  ☆17Updated last month
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆23Updated 4 months ago
• HolobiomicsLab / MetaboT
  🤖 MetaboT 🍵 is an AI system that accelerates mass spectrometry-based metabolomics data mining.
  ☆19Updated last week
• bittremieux-lab / falcon
  Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.
  ☆33Updated last month